4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine

C10H15F6NO2 — CID 18725573

IUPAC4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine
SMILESCOC(F)(F)C(F)(F)C(F)(F)N1CC(C)OC(C)C1
InChIInChI=1S/C10H15F6NO2/c1-6-4-17(5-7(2)19-6)9(13,14)8(11,12)10(15,16)18-3/h6-7H,4-5H2,1-3H3
InChIKeyQLXGMAPTMAYBMI-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.56
Rot. Bonds4

About 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine

4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine (PubChem CID 18725573) has the molecular formula C10H15F6NO2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine
PubChem CID18725573
Molecular FormulaC10H15F6NO2
Molecular Weight295.22 g/mol
Exact Mass295.10
IUPAC Name4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine
SMILESCOC(F)(F)C(F)(F)C(F)(F)N1CC(C)OC(C)C1
InChIInChI=1S/C10H15F6NO2/c1-6-4-17(5-7(2)19-6)9(13,14)8(11,12)10(15,16)18-3/h6-7H,4-5H2,1-3H3
InChIKeyQLXGMAPTMAYBMI-UHFFFAOYSA-N
XLogP2.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine (CID 18725573) is 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine is COC(F)(F)C(F)(F)C(F)(F)N1CC(C)OC(C)C1.
What is the InChIKey of 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine?
The InChIKey is QLXGMAPTMAYBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO2/c1-6-4-17(5-7(2)19-6)9(13,14)8(11,12)10(15,16)18-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine?
4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine has a molecular weight of 295.22 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 18725573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).